Found 1898 results

Search term: MF = 'C_{12}H_{20}N_{2}O_{5}S'
ChemSpider 2D Image | (3S,4S)-4-{[(3-Ethyl-1,2-oxazol-5-yl)methyl](2-hydroxyethyl)amino}tetrahydro-3-thiopheneol 1,1-dioxide | C12H20N2O5S

(3S,4S)-4-{[(3-Ethyl-1,2-oxazol-5-yl)methyl](2-hydroxyethyl)amino}tetrahydro-3-thiopheneol 1,1-dioxide

  • Molecular FormulaC12H20N2O5S
  • Average mass304.363 Da
  • Monoisotopic mass304.109283 Da
  • ChemSpider ID35080442

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3S,4S) 1,1-Dioxyde de 4-{[(3-éthyl-1,2-oxazol-5-yl)méthyl](2-hydroxyéthyl)amino}tétrahydro-3-thiophèneol [French] [ACD/IUPAC Name]
(3S,4S)-4-{[(3-Ethyl-1,2-oxazol-5-yl)methyl](2-hydroxyethyl)amino}tetrahydro-3-thiopheneol 1,1-dioxide [ACD/IUPAC Name]
(3S,4S)-4-{[(3-Ethyl-1,2-oxazol-5-yl)methyl](2-hydroxyethyl)amino}tetrahydro-3-thiophenol-1,1-dioxid [German] [ACD/IUPAC Name]
3-Thiopheneol, 4-[[(3-ethyl-5-isoxazolyl)methyl](2-hydroxyethyl)amino]tetrahydro-, 1,1-dioxide, (3S,4S)- [ACD/Index Name]
4-[[(3-ethylisoxazol-5-yl)methyl](2-hydroxyethyl)amino]tetrahydrothiophene-3-ol 1,1-dioxide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 587.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.2±3.0 kJ/mol
Flash Point: 308.8±30.1 °C
Index of Refraction: 1.585
Molar Refractivity: 72.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -1.00
ACD/LogD (pH 5.5): -0.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.98
ACD/LogD (pH 7.4): -0.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.17
Polar Surface Area: 112 Å2
Polarizability: 28.7±0.5 10-24cm3
Surface Tension: 67.8±5.0 dyne/cm
Molar Volume: 216.0±5.0 cm3

Click to predict properties on the Chemicalize site


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